1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane hydrochloride

Systemtic Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-methyl-4-(p-tolylsulfonyl)-1,4-diazepane hydrochloride CAS Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-methyl-4-tosyl-1,4-diazepane hydrochloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C.Cl

InChI

InChI=1S/C13H20N2O2S.ClH/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15;/h4-7H,3,8-11H2,1-2H3;1H